deoxylimononic acid D-ring-lactone

Chemical Formula:

C₂₆H₃₂O₉

Molecular Weight:

488.533 Daltons

Monoisotopic Mass:

490.2202826903 Daltons

SMILES:

CC2(C(C1(CO)(C(CC(=O)[O-])OC(C(CC(=O)[O-])1)(C)C))CCC3(C=2CC(OC3C4(C=COC=4))=O)C)

InChI:

1S/C26H34O9/c1-14-16(5-7-25(4)17(14)9-22(32)34-23(25)15-6-8-33-12-15)26(13-27)18(10-20(28)29)24(2,3)35-19(26)11-21(30)31/h6,8,12,16,18-19,23,27H,5,7,9-11,13H2,1-4H3,(H,28,29)(H,30,31)/p-2

InChIKey:

BQKCYOXFBVKBDA-UHFFFAOYSA-L

Databases

MetaCyc: DEOXYLIMONONIC-ACID-D-RING-LACTONE

ChEBI: 15787

PubChem (CID): 25201211

KEGG: C04251

Seed: cpd12503

MetaNetX: MNXM4567